%%%%%%%%%%
% xtal.m %
%%%%%%%%%%

number;

% downloaded from %
% http://www.webelements.com/webelements/elements/text/xtal/ %
% using wd, then treated with shell script "xtal" %

% Space group %
% Space group number %
% Structure %
% a [Angstrom] %
% b [Angstrom] %
% c [Angstrom] %
% alpha [degree] %
% beta [degree] %
% gamma [degree] %

xtal = {
'P63/mmc' 194 'hcp' 470 470 340 90.000 90.000 120.000
'Fm-3m' 225 'fcc' 424.2 424.2 424.2 90.000 90.000 90.000
'Im-3m' 229 'bcc' 351 351 351 90.000 90.000 90.000
'P63/mmc' 194 'hcp' 228.58 228.58 358.43 90.000 90.000 120.000
'R-3mr' 166 'rhombohedral' 506 506 506 58.060 58.060 58.060
'P63/mmc' 194 'hcp' 246.4 246.4 671.1 90.000 90.000 120.000
'P63/mmc' 194 'hcp' 386.1 386.1 626.5 90.000 90.000 120.000
'C12/m1' 12 'monoclinic' 540.3 342.9 508.6 90.000 132.530 90.000
'C12/c1' 15 'monoclinic' 550 328 728 90.000 90.000 90.000
'Fm-3m' 225 'fcc' 442.9 442.9 442.9 90.000 90.000 90.000
'Im-3m' 229 'bcc' 429.06 429.06 429.06 90.000 90.000 90.000
'P63/mmc' 194 'hcp' 320.94 320.94 521.08 90.000 90.000 120.000
'Fm-3m' 225 'fcc' 404.95 404.95 404.95 90.000 90.000 90.000
'Fd-3m' 227 'diamond' 543.09 543.09 543.09 90.000 90.000 90.000
'H' 2 'triclinic' 1145 550.3 1126.1 71.840 90.370 71.560
'Fdddz' 70 'orthorhombic' 1043.7 1284.5 2436.9 90.000 90.000 90.000
'unavailable' 64 'orthorhombic' 622.35 445.61 817.85 90.000 90.000 90.000
'Fm-3m' 225 'fcc' 525.6 525.6 525.6 90.000 90.000 90.000
'Im-3m' 229 'bcc' 532.8 532.8 532.8 90.000 90.000 90.000
'Fm-3m' 225 'fcc' 558.84 558.84 558.84 90.000 90.000 90.000
'P63/mmc' 194 'hcp' 330.9 330.9 527.33 90.000 90.000 120.000
'P63/mmc' 194 'hcp' 295.08 295.08 468.55 90.000 90.000 120.000
'Im-3m' 229 'bcc' 303 303 303 90.000 90.000 90.000
'Im-3m' 229 'bcc' 291 291 291 90.000 90.000 90.000
'I-43m' 217 'cubic' 891.25 891.25 891.25 90.000 90.000 90.000
'Im-3m' 229 'bcc' 286.65 286.65 286.65 90.000 90.000 90.000
'P63/mmc' 194 'hcp' 250.71 250.71 406.95 90.000 90.000 120.000
'Fm3m' 225 'fcc' 352.4 352.4 352.4 90.000 90.000 90.000
'Fm-3m' 225 'fcc' 361.49 361.49 361.49 90.000 90.000 90.000
'P63/mmc' 194 'hcp' 266.49 266.49 494.68 90.000 90.000 120.000
'Cmca' 64 'orthorhombic' 451.97 766.33 452.6 90.000 90.000 90.000
'Fm-3m' 225 'fcc' 565.75 565.75 565.75 90.000 90.000 90.000
'R-3m' 166 'trigonal' 375.98 375.98 1054.75 90.000 90.000 120.000
'unavailable' 14 'monoclinic' 905.4 908.3 1160.1 90.000 90.810 90.000
'unavailable' 64 'orthorhombic' 672.65 464.51 870.23 90.000 90.000 90.000
'Fm-3m' 225 'fcc' 570.6 570.6 570.6 90.000 90.000 90.000
'Im-3m' 229 'bcc' 558.5 558.5 558.5 90.000 90.000 90.000
'Fm-3m' 225 'fcc' 608.49 608.49 608.49 90.000 90.000 90.000
'P63/mmc' 194 'hcp' 364.74 364.74 573.06 90.000 90.000 120.000
'P63/mmc' 194 'hcp' 323.2 323.2 514.7 90.000 90.000 120.000
'Im-3m' 229 'bcc' 330.04 330.04 330.04 90.000 90.000 90.000
'Im-3m' 229 'bcc' 314.7 314.7 314.7 90.000 90.000 90.000
'P63/mmc' 194 'hcp' 273.5 273.5 438.8 90.000 90.000 120.000
'P63/mmc' 194 'hcp' 270.59 270.59 428.15 90.000 90.000 120.000
'Fm-3m' 225 'fcc' 380.34 380.34 380.34 90.000 90.000 90.000
'Fm-3m' 225 'fcc' 389.07 389.07 389.07 90.000 90.000 90.000
'Fm-3m' 225 'fcc' 408.53 408.53 408.53 90.000 90.000 90.000
'P63/mmc' 194 'hcp' 297.94 297.94 561.86 90.000 90.000 120.000
'I4/mmm' 139 'tetragonal' 325.23 325.23 494.61 90.000 90.000 90.000
'I41/amd' 141 'tetragonal' 583.18 583.18 318.19 90.000 90.000 90.000
'R3-mh' 166 'trigonal' 430.7 430.7 1127.3 90.000 90.000 120.000
'P3121' 152 'trigonal' 445.72 445.72 592.9 90.000 90.000 120.000
'Cmca' 64 'orthorhombic' 718.02 471.02 981.03 90.000 90.000 90.000
'Fm-3m' 225 'fcc' 620.23 620.23 620.23 90.000 90.000 90.000
'Im-3m' 229 'bcc' 614.1 614.1 614.1 90.000 90.000 90.000
'Im-3m' 229 'bcc' 502.8 502.8 502.8 90.000 90.000 90.000
'P63/mmc' 194 'hcp' 377.2 377.2 1214.4 90.000 90.000 120.000
'P63/mmc' 194 'hcp' 362 362 599 90.000 90.000 120.000
'P63/mmc' 194 'hcp' 367.25 367.25 1183.54 90.000 90.000 120.000
'P63/mmc' 194 'hcp' 365.8 365.8 1179.9 90.000 90.000 120.000
'unavailable' NVL 'unavailable' NVL NVL NVL NVL NVL NVL
'R-3m' 166 'trigonal' 362.1 362.1 2625 90.000 90.000 120.000
'Im-3m' 229 'bcc' 458.1 458.1 458.1 90.000 90.000 90.000
'P63/mmc' 194 'hcp' 363.6 363.6 578.26 90.000 90.000 120.000
'P63/mmc' 194 'hcp' 360.1 360.1 569.36 90.000 90.000 120.000
'P63/mmc' 194 'hcp' 359.3 359.3 565.37 90.000 90.000 120.000
'P63/mmc' 194 'hcp' 357.73 357.73 561.58 90.000 90.000 120.000
'P63/mmc' 194 'hcp' 355.88 355.88 558.74 90.000 90.000 120.000
'P63/mmc' 194 'hcp' 353.75 353.75 555.46 90.000 90.000 120.000
'Fm-3m' 225 'fcc' 548.47 548.47 548.47 90.000 90.000 90.000
'P63/mmc' 194 'hcp' 350.31 350.31 555.09 90.000 90.000 120.000
'P63/mmc' 194 'hcp' 319.64 319.64 505.11 90.000 90.000 120.000
'Im-3m' 229 'bcc' 330.13 330.13 330.13 90.000 90.000 90.000
'Im-3m' 229 'bcc' 316.52 316.52 316.52 90.000 90.000 90.000
'P63/mmc' 194 'hcp' 276.1 276.1 445.6 90.000 90.000 120.000
'P63/mmc' 194 'hcp' 273.44 273.44 431.73 90.000 90.000 120.000
'Fm-3m' 225 'fcc' 383.9 383.9 383.9 90.000 90.000 90.000
'Fm-3m' 225 'fcc' 392.42 392.42 392.42 90.000 90.000 90.000
'Fm-3m' 225 'fcc' 407.82 407.82 407.82 90.000 90.000 90.000
'R-3mr' 166 'rhombohedral' 300.5 300.5 300.5 70.520 70.520 70.520
'P63/mmc' 194 'hcp' 345.66 345.66 552.48 90.000 90.000 120.000
'Fm-3m' 225 'fcc' 495.08 495.08 495.08 90.000 90.000 90.000
'C2/m' 12 'monoclinic' 667.4 611.7 330.4 90.000 110.330 90.000
'Pm-3m' 221 'cubic' 335.9 335.9 335.9 90.000 90.000 90.000
'unavailable' NVL 'unavailable' NVL NVL NVL NVL NVL NVL
'unavailable' NVL 'unavailable' NVL NVL NVL NVL NVL NVL
'unavailable' NVL 'unavailable' NVL NVL NVL NVL NVL NVL
'Im-3m' 229 'bcc' 514.8 514.8 514.8 90.000 90.000 90.000
'Fm-3m' 225 'fcc' 567 567 567 90.000 90.000 90.000
'Fm-3m' 225 'fcc' 508.42 508.42 508.42 90.000 90.000 90.000
'I4/mmm' 139 'tetragonal' 392.5 392.5 323.8 90.000 90.000 90.000
'Cmcm' 63 'orthorhombic' 285.37 586.95 495.48 90.000 90.000 90.000
'Pnma' 62 'orthorhombic' 666.3 472.3 488.7 90.000 90.000 90.000
'P21/m' 11 'monoclinic' 618.3 482.2 1096.3 90.000 101.790 90.000
'P63/mmc' 194 'hcp' 346.81 346.81 1124.1 90.000 90.000 120.000
'P63/mmc' 194 'hcp' 349.6 349.6 1133.1 90.000 90.000 120.000
'P63/mmc' 194 'hcp' 341.6 341.6 1106.9 90.000 90.000 120.000
'P63/mmc' 194 'hcp' 338 338 1102.5 90.000 90.000 120.000
'unavailable' NVL 'unavailable' NVL NVL NVL NVL NVL NVL
'unavailable' NVL 'unavailable' NVL NVL NVL NVL NVL NVL
'unavailable' NVL 'unavailable' NVL NVL NVL NVL NVL NVL
'unavailable' NVL 'unavailable' NVL NVL NVL NVL NVL NVL
'unavailable' NVL 'unavailable' NVL NVL NVL NVL NVL NVL
'unavailable' NVL 'unavailable' NVL NVL NVL NVL NVL NVL
'unavailable' NVL 'unavailable' NVL NVL NVL NVL NVL NVL
'unavailable' NVL 'unavailable' NVL NVL NVL NVL NVL NVL
'unavailable' NVL 'unavailable' NVL NVL NVL NVL NVL NVL
'unavailable' NVL 'unavailable' NVL NVL NVL NVL NVL NVL
'unavailable' NVL 'unavailable' NVL NVL NVL NVL NVL NVL
};

if size(xtal) ~= ZMAX
  fprintf (1, 'xtal has %d elements\n', ...
      size(xtal));
  return;
else
  fprintf (1, 'xtal added ..\n');
end;
